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SMILES: CCCN1C[C@@H]2[C@@H](CC[C@H]1CN2Cc1ccc(cc1)C(=O)N(CC)CC)c1ccccc1

InChI Key: InChIKey=YNPJXHDZWVQOGL-GMQQYTKMSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50375377   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50375377
PNG
(CHEMBL409266)
Show SMILES CCCN1C[C@@H]2[C@@H](CC[C@H]1CN2Cc1ccc(cc1)C(=O)N(CC)CC)c1ccccc1 |TLB:2:3:10.11:8.7.6,THB:26:6:3.4:10.11,12:11:3.4:8.7.6|
Show InChI InChI=1S/C28H39N3O/c1-4-18-30-21-27-26(23-10-8-7-9-11-23)17-16-25(30)20-31(27)19-22-12-14-24(15-13-22)28(32)29(5-2)6-3/h7-15,25-27H,4-6,16-21H2,1-3H3/t25-,26-,27+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.40E+3n/an/an/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
Displacement of [3H]C1-977 from human kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem 16: 2870-85 (2008)


Article DOI: 10.1016/j.bmc.2008.01.004
BindingDB Entry DOI: 10.7270/Q2416XXR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50375377
PNG
(CHEMBL409266)
Show SMILES CCCN1C[C@@H]2[C@@H](CC[C@H]1CN2Cc1ccc(cc1)C(=O)N(CC)CC)c1ccccc1 |TLB:2:3:10.11:8.7.6,THB:26:6:3.4:10.11,12:11:3.4:8.7.6|
Show InChI InChI=1S/C28H39N3O/c1-4-18-30-21-27-26(23-10-8-7-9-11-23)17-16-25(30)20-31(27)19-22-12-14-24(15-13-22)28(32)29(5-2)6-3/h7-15,25-27H,4-6,16-21H2,1-3H3/t25-,26-,27+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.70E+3n/an/an/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from human mu opioid receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 2870-85 (2008)


Article DOI: 10.1016/j.bmc.2008.01.004
BindingDB Entry DOI: 10.7270/Q2416XXR
More data for this
Ligand-Target Pair